CID 14145835

Dtxsid601359880

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₄

SMILES

CC(=O)N(C)N(C1=CC=CC=C1)C(=O)C(=O)O

InChI

InChI=1S/C11H12N2O4/c1-8(14)12(2)13(10(15)11(16)17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,16,17)

InChIKey

KHSFDWLKYABAGT-UHFFFAOYSA-N

Compound name

2-(N-[acetyl(methyl)amino]anilino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.07971 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.086986	151.1
[M+Na]+	259.068928	155.9
[M-H]-	235.072434	156.1
[M+NH4]+	254.113533	168.3
[M+K]+	275.042868	157.4
[M+H-H2O]+	219.076970	144.0
[M+HCOO]-	281.077911	175.1
[M+CH3COO]-	295.093561	197.3
[M+Na-2H]-	257.054376	153.3
[M]+	236.07916142	152.3
[M]-	236.08025858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe